1VDC

STRUCTURE OF NADPH DEPENDENT THIOREDOXIN REDUCTASE

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG
Synchrotron site	EMBL/DESY, HAMBURG
Temperature [K]	175
Detector technology	IMAGE PLATE
Collection date	1995-07
Detector	RIGAKU
Spacegroup name	P 41 21 2
Unit cell lengths	89.974, 89.974, 175.626
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.188
Rwork	0.188
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1trb
RMSD bond length	0.012
RMSD bond angle	1.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.085	0.487
Total number of observations	139995 *
Number of reflections	20556 *
<I/σ(I)>	7.7
Completeness [%]	100.0	100
Redundancy	6.81

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *			7% ISOPROPANOL (OR 4% MPD) AND 1.8 M AMMONIUM SULFATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	isopropanol	7 (%(v/v))	or 4 % MPD
2	1	reservoir	ammonium sulfate	1.8 (M)